2-[(5-fluoro-3-pyridinyl)sulfonyl-(2-methylpropyl)amino]acetic acid

C11H15FN2O4S — CID 55146857

IUPAC2-[(5-fluoro-3-pyridinyl)sulfonyl-(2-methylpropyl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)S(=O)(=O)c1cncc(F)c1
InChIInChI=1S/C11H15FN2O4S/c1-8(2)6-14(7-11(15)16)19(17,18)10-3-9(12)4-13-5-10/h3-5,8H,6-7H2,1-2H3,(H,15,16)
InChIKeyMWXWLDSMKCWEDF-UHFFFAOYSA-N
MW290.32 g/mol
LogP0.95
Rot. Bonds6

About 2-[(5-fluoro-3-pyridinyl)sulfonyl-(2-methylpropyl)amino]acetic acid

2-[(5-fluoro-3-pyridinyl)sulfonyl-(2-methylpropyl)amino]acetic acid (PubChem CID 55146857) has the molecular formula C11H15FN2O4S and a molecular weight of 290.32 g/mol. Its IUPAC name is 2-[(5-fluoro-3-pyridinyl)sulfonyl-(2-methylpropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(5-fluoro-3-pyridinyl)sulfonyl-(2-methylpropyl)amino]acetic acid
PubChem CID55146857
Molecular FormulaC11H15FN2O4S
Molecular Weight290.32 g/mol
Exact Mass290.07
IUPAC Name2-[(5-fluoro-3-pyridinyl)sulfonyl-(2-methylpropyl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)S(=O)(=O)c1cncc(F)c1
InChIInChI=1S/C11H15FN2O4S/c1-8(2)6-14(7-11(15)16)19(17,18)10-3-9(12)4-13-5-10/h3-5,8H,6-7H2,1-2H3,(H,15,16)
InChIKeyMWXWLDSMKCWEDF-UHFFFAOYSA-N
XLogP0.95
TPSA87.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-fluoro-3-pyridinyl)sulfonyl-(2-methylpropyl)amino]acetic acid?
The IUPAC name of 2-[(5-fluoro-3-pyridinyl)sulfonyl-(2-methylpropyl)amino]acetic acid (CID 55146857) is 2-[(5-fluoro-3-pyridinyl)sulfonyl-(2-methylpropyl)amino]acetic acid.
What is the SMILES notation for 2-[(5-fluoro-3-pyridinyl)sulfonyl-(2-methylpropyl)amino]acetic acid?
The canonical SMILES for 2-[(5-fluoro-3-pyridinyl)sulfonyl-(2-methylpropyl)amino]acetic acid is CC(C)CN(CC(=O)O)S(=O)(=O)c1cncc(F)c1.
What is the InChIKey of 2-[(5-fluoro-3-pyridinyl)sulfonyl-(2-methylpropyl)amino]acetic acid?
The InChIKey is MWXWLDSMKCWEDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O4S/c1-8(2)6-14(7-11(15)16)19(17,18)10-3-9(12)4-13-5-10/h3-5,8H,6-7H2,1-2H3,(H,15,16).
What are the key properties of 2-[(5-fluoro-3-pyridinyl)sulfonyl-(2-methylpropyl)amino]acetic acid?
2-[(5-fluoro-3-pyridinyl)sulfonyl-(2-methylpropyl)amino]acetic acid has a molecular weight of 290.32 g/mol, XLogP of 0.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-fluoro-3-pyridinyl)sulfonyl-(2-methylpropyl)amino]acetic acid is sourced from PubChem (CID 55146857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).